Basic information
- CAS
38533-19-6- Standard SMILES
O=C1Nc2ccccc2SC1c1ccccc1- InChIKey
DLALSZUJBMNOHZ-UHFFFAOYSA-N- Molecular formula
- C14H11NOS
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.05613497
Names & identifiers
- Preferred name
- 2-phenyl-4H-1,4-benzothiazin-3-one
- IUPAC
- 2-phenyl-4H-1,4-benzothiazin-3-one
- English name
- 2-Phenyl-2H-benzo[b][1,4]thiazin-3(4H)-one
- Molecular formula
- C14H11NOS
- Molecular weight
- 241.30824
Names & synonyms
2-phenyl-4H-1,4-benzothiazin-3-one38533-19-6DTXSID80284063RefChem:265282DTXCID002352142-Phenyl-2H-1,4-benzothiazin-3(4H)-oneNSC35327Maybridge1_005530Oprea1_166720MLS001182126DivK1c_001818CHEMBL450728
Show more names
2-Phenyl-2H-benzo[b][1,4]thiazin-3(4H)-one
SCHEMBL3626456HMS557D08DLALSZUJBMNOHZ-UHFFFAOYSA-NHMS2881J222-Phenylbenzo-1,4-thiazane-3-oneCCG-48297NSC-353272-phenyl-4H-[1,4]benzothiazin-3-one
Database identifiers
- CAS
38533-19-6- PubChem CID
- 234768
- DTXSID
DTXSID80284063- ChEMBL
CHEMBL450728- Nikkaji
- J345.955A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
2 records
Compound notes
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